ChemSpider 2D Image | (1R,2R,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-deoxy-alpha-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 6-amino-6-deoxy-alpha-D-glucopyranoside | C18H36N4O11

(1R,2R,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 6-amino-6-deoxy-α-D-glucopyranoside

  • Molecular FormulaC18H36N4O11
  • Average mass484.499 Da
  • Monoisotopic mass484.238068 Da
  • ChemSpider ID22886608

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2R,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 6-amino-6-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3S,4R,6S)-4,6-Diamino-3-[(3-amino-3-desoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl-6-amino-6-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Amino-6-désoxy-α-D-glucopyranoside de (1R,2R,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-désoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-α-L-glucopyranosyl)oxy]-2-hydroxycyclohexyl 6-amino-6-deoxy- [ACD/Index Name]
(2R,3S,4S,5R,6R)-2-(AMINOMETHYL)-6-[(1R,2R,3S,4R,6S)-4,6-DIAMINO-3-[(2R,3S,4R,5R,6S)-4-AMINO-3,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-2-HYDROXYCYCLOHEXYL]OXYOXANE-3,4,5-TRIOL

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 809.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.5 mmHg at 25°C
    Enthalpy of Vaporization: 134.0±6.0 kJ/mol
    Flash Point: 443.4±34.3 °C
    Index of Refraction: 1.670
    Molar Refractivity: 111.1±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 15
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: -2.58
    ACD/LogD (pH 5.5): -9.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -7.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 283 Å2
    Polarizability: 44.1±0.5 10-24cm3
    Surface Tension: 104.5±5.0 dyne/cm
    Molar Volume: 297.6±5.0 cm3

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